Structure Information
Structure

Compound Identification

SMILES

CCCCN1CC(N(CC1=O)S(=O)(=O)C1=CC=C(C=C1)C1=CC=C(Br)C=C1)C(O)=O

InChIKey

InChIKey=XUNCIGRVVBGNJX-UHFFFAOYSA-N

Formula

C21H23BrN2O5S

Mass

495.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Biphenyls and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Brominated biphenyls

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Brominated biphenyl - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Piperazine-2-carboxylic acid - Bromobenzene - N-alkylpiperazine - Halobenzene - Aryl bromide - Aryl halide - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.

External Descriptors

Not available

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